SELFIES
stringlengths 149
675
| molecule_smiles
stringlengths 38
142
| input_ids
sequencelengths 7
48
| token_type_ids
sequencelengths 7
48
| special_tokens_mask
sequencelengths 7
48
| attention_mask
sequencelengths 7
48
| length
int64 7
48
|
|---|---|---|---|---|---|---|
[C][N][C][=C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch2][C][=C][C][Ring2][Ring1][P][=O] | Cn1cc(Nc2nc(Nc3ccc(C(=O)N[Dy])cn3)nc(Nc3ccc(Cl)cc3F)n2)ccc1=O | [
2,
420,
1318,
1514,
2474,
1368,
1465,
1638,
2241,
1355,
1293,
2486,
430,
3
] | [
0,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][C][=N][C][Branch1][=N][N][C][=N][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | Cc1ccc(S(C)(=O)=O)cc1Nc1nc(Nc2nccc(Cl)n2)nc(Nc2c(F)cccc2C(=O)N[Dy])n1 | [
2,
1357,
2581,
1374,
1830,
2248,
1361,
1318,
2042,
1339,
436,
3
] | [
0,
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1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][S][C][=C][C][=C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][#C][N][C][C][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][#C][O][Ring2][Ring2][=Branch1] | CSc1ccc(CNc2nc(NCC3CC34CCOCC4)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(I)cc3)n2)o1 | [
2,
2626,
1286,
2260,
1951,
1583,
1274,
1616,
1466,
1518,
1407,
1357,
1284,
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1325,
1394,
429,
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] | [
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0,
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0,
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0,
0,
0,
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0,
0,
0,
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0,
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1,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch2][Branch1][Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=C][N][N][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring2][N][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][=Branch1] | CCOC(=O)c1ccc(O)c(Nc2nc(Nc3cn4nc(Cl)ccc4n3)nc(Nc3cnc(SC)nc3C(=O)N[Dy])n2)c1 | [
2,
1508,
1286,
1488,
1493,
1341,
1318,
2138,
2426,
2189,
421,
2655,
3
] | [
0,
0,
0,
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0,
0,
0,
0,
0,
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0
] | [
1,
0,
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0,
0,
0,
0,
0,
0,
0,
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0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[O][=C][C][C][C][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=C][Ring2][Ring2][Branch1][C][Ring2][Ring2][=Branch2][=O][C][=Branch1][C][=O][N][Ring2][Ring2][P] | O=C1CCC(N2C(=O)c3cccc(Nc4nc(NCC5CCCCC(F)(F)C5)nc(Nc5cc(Br)c(Cl)cc5C(=O)N[Dy])n4)c3C2=O)C(=O)N1 | [
2,
2668,
1313,
1487,
425,
1387,
1473,
1483,
2542,
3022,
1773,
1469,
1309,
1455,
421,
1328,
1284,
2027,
430,
420,
1280,
1300,
439,
3
] | [
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0,
0,
0,
0,
0,
0,
0,
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0,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 24 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][N][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=N][C][Branch1][=N][N][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][=N][=N][Ring2][Ring2][Ring2] | O=C(N[Dy])c1cncc(Nc2nc(NCC3CC(=O)N(Cc4ccccc4)C3)nc(Nc3cncc(Cl)n3)n2)n1 | [
2,
2668,
1311,
424,
435,
2023,
1449,
1502,
2751,
2660,
2248,
1411,
1536,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0
] | [
1,
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0,
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0,
0,
0,
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0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Br][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][C][N][C][=C][N][N][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][Ring2][Ring1][N] | O=C(N[Dy])[C@@H]1Cc2ccccc2CN1c1nc(Nc2ccc([N+](=O)[O-])c(Br)c2)nc(Nc2cn3nc(Cl)ccc3n2)n1 | [
2,
2668,
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424,
435,
440,
1978,
424,
1344,
420,
1671,
2907,
1371,
1318,
2138,
2426,
1480,
3
] | [
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][O][C][=C][C][=C][Branch2][Branch1][=N][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][F][=N][C][N][=C][NH1][C][Ring1][#Branch2][=Ring1][Branch1][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][#C][O][C][Branch1][C][C][C][Ring2][Ring2][=Branch2] | CCOc1cc2c(cc1CNc1nc(Nc3nc(F)nc4nc[nH]c34)nc(N[C@H](C(=O)N[Dy])c3ccc(OC)cc3)n1)OC(C)C2 | [
2,
1475,
1286,
1861,
1452,
1341,
1281,
1301,
1276,
2108,
1344,
1402,
2438,
1394,
1921,
2027,
3
] | [
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0,
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] | [
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] | [
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Branch1][C][N][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Br][=C][Ring1][#Branch2][=N][Ring2][Ring1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][#Branch1] | O=C(N[Dy])c1ccc(Nc2nc(NCc3nccc4[nH]ccc34)nc(Nc3ccc([N+](=O)[O-])c(Br)c3)n2)c(C(F)(F)F)c1 | [
2,
2668,
1311,
424,
435,
1286,
1481,
1827,
1293,
2246,
1671,
2907,
1814,
1468,
2276,
3
] | [
0,
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0,
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] | [
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][S][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1][=N][C][Branch2][Ring1][=C][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][Ring1][=C][C][=C][Ring2][Ring2][#Branch2][Cl] | COC(=O)c1cc(Nc2nc(Nc3cccc4ccc(C)nc34)nc(N[C@H](CC(=O)N[Dy])c3ccc(C(F)(F)F)cc3)n2)ccc1Cl | [
2,
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1634,
1407,
1286,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
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1
] | 19 |
[N][#C][C][C][=C][S][C][=Ring1][Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][=C] | N#Cc1ccsc1Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)nc(NC2(C(=O)N[Dy])CCc3ccccc32)n1 | [
2,
424,
438,
2549,
1359,
1614,
2860,
1408,
1279,
1302,
1274,
1377,
1724,
1379,
3
] | [
0,
0,
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0,
0,
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] | [
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0,
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0,
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0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][N][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][Br][=C][C][=N][Ring1][#Branch1][=N][Ring2][Ring1][S][S][C][Ring2][Ring2][=Branch1][=C][Ring2][Ring2][#Branch2] | O=C(N[Dy])c1ccc2nc(Nc3nc(NCc4ccc(N5CCOCC5)cc4C(F)(F)F)nc(Nc4cc(Br)ccn4)n3)sc2c1 | [
2,
2668,
1311,
424,
435,
1286,
1315,
1496,
2159,
1367,
1623,
1291,
1279,
1661,
1851,
1323,
1987,
1424,
1337,
2074,
1328,
436,
3
] | [
0,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 23 |
[C][C][C][C][C][N][=C][Branch2][Ring2][O][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][O][C][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][S][C][=Ring2][Ring1][#C][C][Ring2][Ring2][Ring1] | CC1CCc2nc(CNc3nc(NCC4C=CCC4)nc(NC4(C(=O)N[Dy])CCOCC4)n3)sc2C1 | [
2,
1547,
1315,
1304,
1294,
1778,
2737,
1371,
1279,
1302,
1785,
1344,
1403,
1337,
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422,
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1,
1,
1,
1,
1,
1,
1,
1,
1,
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1
] | 19 |
[C][=C][C][O][C][Branch1][C][C][C][N][C][=N][C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C] | C=CCOC(C)CNc1nc(Nc2ccccc2-c2nnn[nH]2)nc(N[C@@H](Cc2ccco2)C(=O)N[Dy])n1 | [
2,
1293,
1921,
1366,
2786,
1361,
1518,
1326,
1357,
429,
1463,
1287,
1379,
3
] | [
0,
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0,
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] | [
1,
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] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][C][=N][N][Branch2][Branch1][=Branch1][C][C][N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][N][=O][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring2][Branch1][Cl] | Cc1nn(CCNc2nc(NCC(F)(F)C(N)=O)nc(N[C@H](Cc3ccc(I)cc3)C(=O)N[Dy])n2)c(C)c1Cl | [
2,
1274,
1385,
1516,
1274,
1489,
2836,
1408,
1634,
423,
2029,
1284,
451,
1325,
1339,
1279,
1288,
1897,
437,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][N][C][C][N][Branch2][=Branch1][Branch1][C][C][=C][C][=C][Branch2][Ring2][S][N][C][=N][C][Branch1][O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Br][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring2][=C] | CN1CCN(Cc2ccc(Nc3nc(Nc4nccnc4Br)nc(N[C@H](CC(=O)N[Dy])c4ccc(Cl)cc4)n3)cc2C(F)(F)F)CC1 | [
2,
420,
2381,
1487,
1425,
1275,
1491,
1429,
1401,
2294,
1408,
1634,
1407,
2716,
2589,
1995,
1437,
1274,
1300,
421,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][C][=N][N][Branch2][Branch1][#C][C][C][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring2][=Branch2][Cl] | Cc1nn(CCNc2nc(Nc3ccc(F)c(C(F)(F)F)c3)nc(Nc3cccc([N+](=O)[O-])c3C(=O)N[Dy])n2)c(C)c1Cl | [
2,
1274,
1385,
1306,
1694,
1624,
2740,
1408,
1342,
1448,
1479,
1339,
1337,
1288,
2690,
437,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[O][=C][C][C][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=C][C][=C][Ring2][Ring2][#Branch1][N][Ring2][Ring2][#Branch2] | O=C1Cc2cc(Nc3nc(Nc4cccc(CN5CCCCC5)c4)nc(Nc4cc(Cl)ncc4C(=O)N[Dy])n3)ccc2N1 | [
2,
2668,
1349,
1483,
2669,
1722,
1540,
1308,
1641,
1361,
1686,
425,
1325,
1339,
433,
1882,
431,
424,
2471,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][=C][C][C@H1][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][P][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][=N][Ring2][Ring1][=N][C][=Branch1][C][=O][N][Dy] | C=CC[C@H](Nc1nc(NCC2(C3CC3)CCCO2)nc(Nc2ccc3c(C)cc(=O)oc3c2)n1)C(=O)N[Dy] | [
2,
1964,
1493,
1492,
2063,
1845,
1329,
1353,
1342,
1695,
1810,
1329,
1472,
1507,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Branch1][O][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][=C][Ring2][Ring2][=Branch2] | COC(=O)c1ccnc(Nc2nc(NCc3ccc(CN4C(=O)CNC4=O)cc3)nc(Nc3ccc(Cl)cc3C(=O)N[Dy])n2)c1 | [
2,
1621,
1276,
1704,
2116,
1276,
1576,
1983,
1765,
1544,
1470,
1290,
1322,
1959,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O] | CN(C)c1ncccc1CNc1nc(Nc2cnccn2)nc(N2Cc3ccccc3C[C@@H]2C(=O)N[Dy])n1 | [
2,
1633,
1332,
425,
1522,
1445,
2893,
1406,
1941,
440,
1344,
1339,
429,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][C][S][C][Branch2][Branch1][=N][C][N][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][O][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][Ring2][Ring2][Ring1][=N][C][=Ring2][Ring2][#Branch2][C][Branch1][C][C][C] | Cc1sc(CNc2nc(NCc3nccn3-c3ccccc3)nc(N[C@H](CC(=O)N[Dy])c3cccc([N+](=O)[O-])c3)n2)nc1C(C)C | [
2,
1274,
1337,
2571,
2547,
2825,
1656,
1634,
1407,
1473,
1448,
1479,
1490,
1276,
1847,
2415,
1332,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][N][C][=C][Branch2][=Branch1][Ring1][C][N][C][=N][C][Branch2][Ring1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][S][=O] | Cn1cc(CNc2nc(NCc3ccccc3CS(=O)(=O)N3CCOCC3)nc(N[C@@H](Cc3ccc(F)cc3F)C(=O)N[Dy])n2)c(=O)[nH]c1=O | [
2,
420,
1318,
1487,
2013,
1927,
3017,
1466,
1697,
421,
1357,
1515,
432,
1290,
1719,
1499,
1373,
1300,
433,
430,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][C][=C][N][=C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][=N][N][C][=C][Branch1][Ring1][C][#N][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][O][S][Ring2][Ring2][C] | Cc1cnc(CNc2nc(NC3=C(C#N)CCC3)nc(N3[C@H](C(=O)N[Dy])C[C@@H]4CCCC[C@@H]43)n2)s1 | [
2,
2143,
2113,
1374,
2788,
1353,
1634,
1368,
440,
1399,
440,
1308,
1724,
1356,
433,
2445,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][C][=C][C][=C][C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][N][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Br][=C][N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1][=N][Ring2][Ring1][S][=C][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][N][Dy] | CCc1cccc(Nc2nc(NCCc3nc(-c4ccccc4)c(C)s3)nc(Nc3nc(Br)cn4ccnc34)n2)c1C(=O)N[Dy] | [
2,
1617,
1510,
1502,
1331,
2310,
2695,
1410,
1829,
2425,
1424,
2276,
1290,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][S][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1] | COC(=O)c1ccc2nc(Nc3nc(NCc4ccc(C#N)cn4)nc(Nc4c(Br)cc(F)cc4C(=O)N[Dy])n3)sc2c1 | [
2,
1554,
1315,
1449,
2565,
1651,
1435,
1418,
1323,
1567,
1455,
425,
1337,
1995,
2276,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N][=N][C][Branch1][=Branch2][N][C][=N][C][=N][S][Ring1][Branch1][=N][Ring2][Ring1][O] | O=C(N[Dy])c1ccc(I)cc1Nc1nc(NCc2cnc(N3CCOCC3)c(F)c2)nc(Nc2ncns2)n1 | [
2,
2668,
1311,
424,
435,
1286,
1284,
451,
1325,
1502,
1615,
2066,
1572,
1281,
2356,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][#Branch2][O][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][C][Br][=C][N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1][=N][Ring2][Ring1][=N] | Cc1c(F)cccc1Nc1nc(Nc2ccc(C(=O)N[Dy])cc2O)nc(Nc2cc(Br)cn3ccnc23)n1 | [
2,
1319,
2042,
1820,
1593,
429,
2678,
2425,
1411,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 10 |
[C][C][=C][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][C][N][C][=N][C][Branch1][O][N][C][=N][NH1][C][=C][Ring1][Branch1][C][#N][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2] | Cc1cc(F)ncc1CNc1nc(Nc2n[nH]cc2C#N)nc(Nc2c(C)cccc2C(=O)N[Dy])n1 | [
2,
1349,
1301,
2279,
1429,
2135,
448,
1930,
436,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 10 |
[C][C][N][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][=C][N][C][C][Branch1][C][F][C][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][N][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][S][C][=C][C][Ring2][Ring2][#Branch1][=N][Ring2][Ring2][#Branch2] | CCn1cc2cc(Nc3nc(NCC4(F)CCCCC4)nc(Nc4c(C(=O)N[Dy])cnn4-c4ccc(F)cc4)n3)ccc2n1 | [
2,
1274,
1303,
1496,
1562,
2994,
2155,
1318,
1368,
1385,
1343,
1286,
1515,
1424,
1293,
2111,
2193,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][=Branch1][Ring1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][=N][C][Branch2][Ring1][#C][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][=Branch1][=C][Ring2][Ring2][=N] | COC(=O)c1ccnc(Nc2nc(Nc3cccc(CN4CCCCC4)c3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(C(F)(F)F)cc3)n2)c1 | [
2,
1621,
1276,
2463,
2669,
1722,
1540,
1308,
1641,
2287,
1518,
1407,
1357,
1468,
1346,
1690,
1328,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][C][=C][C][=C][C][Branch2][Branch1][=Branch2][O][C][C][C][N][C][=N][C][Branch1][P][N][C][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Branch2][C] | Cc1cccc(OCCCNc2nc(NCCc3nc(C)c(C)s3)nc(Nc3cc(Br)c(Cl)cc3C(=O)N[Dy])n2)c1C | [
2,
2270,
1510,
1925,
1366,
1331,
2533,
1773,
1469,
1309,
1455,
425,
1877,
420,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][C][C][C][C][Branch2][Ring2][S][C][N][C][=N][C][Branch1][=C][N][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][Ring1][#Branch2][=N][Ring2][Ring1][O][O][Ring2][Ring2][Ring1] | CC1CCCC(CNc2nc(NCc3cncc(F)c3)nc(NCC3CCC(C(=O)N[Dy])CC3)n2)O1 | [
2,
1399,
1274,
2405,
1358,
2761,
1361,
1540,
1302,
2232,
1356,
429,
1995,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][C][O][C][=C][C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][=N][C][Branch1][O][N][C][S][C][=C][C][=Ring1][Branch1][C][#N][=N][Ring2][Ring1][Branch2][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][S][C][=Branch1][C][=O][N][Dy] | CCOc1cc(Nc2nc(Nc3cccc(F)c3OC)nc(Nc3sccc3C#N)n2)c(Cl)cc1C(=O)N[Dy] | [
2,
1561,
1772,
1364,
1939,
1294,
2540,
2031,
448,
1403,
2197,
2176,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][C][=N][C][Branch2][Branch1][O][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][=C][C][=C][Ring2][Ring2][=Branch2][Cl] | Cc1nc(Nc2nc(Nc3ccc4c(c3)CCCC4=O)nc(N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[Dy])n2)ccc1Cl | [
2,
1274,
1276,
1704,
1359,
1664,
2895,
1484,
1331,
441,
1463,
1280,
1313,
441,
1463,
1287,
1322,
1286,
2027,
437,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | CCON(C)C(=O)CNc1nc(Nc2cc(Cl)c([N+](=O)[O-])cc2C)nc(N[C@H](Cc2ccc(Cl)cc2)C(=O)N[Dy])n1 | [
2,
1475,
1680,
1691,
1416,
1614,
1448,
1346,
420,
1408,
1634,
423,
2029,
1470,
1339,
433,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[N][#C][C][=C][C][=C][C][Branch2][Branch1][=N][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=N][C][Branch1][S][N][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][=N][Ring2][Ring1][N][=C][Ring2][Ring2][#Branch2] | N#Cc1cccc(C[C@H](CC(=O)N[Dy])Nc2nc(Nc3cccc(N4CCOCC4)c3)nc(Nc3cc(C4CC4)[nH]n3)n2)c1 | [
2,
424,
438,
1473,
2571,
441,
1407,
2536,
2210,
1386,
1314,
2063,
1803,
428,
1821,
436,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][C][=N][C][Branch1][=N][N][C][C][N][C][C][C][O][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | COC(=O)c1sc(C)cc1Nc1nc(NCCN2CCCOCC2)nc(Nc2cc(F)cc(F)c2C(=O)N[Dy])n1 | [
2,
2412,
1695,
444,
426,
1610,
2760,
1773,
1982,
1339,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][O][C][=C][C][=C][Branch2][Branch1][N][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][O][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][#C][O][C][O][Ring2][Ring2][Branch2] | COc1cc2c(cc1CNc1nc(Nc3ccc(O)cc3C)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(Cl)c(Cl)c3)n1)OCO2 | [
2,
1655,
424,
1452,
1912,
1511,
1752,
1656,
1634,
1407,
1357,
1501,
1771,
1394,
1294,
429,
2195,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][O][C][=C][C][Branch2][Branch1][=Branch2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=N][C][Branch1][N][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][=N][=N][C][Branch2][Ring1][C][N][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch2][=N][Ring2][Ring1][S][=C][Branch1][C][Cl][C][=C][Ring2][Ring2][Branch2][C][=Branch1][C][=O][N][Dy] | CCOc1cc(Nc2nc(NCc3ccnc(N4CCOC(C)C4)c3)nc(NCC3CCC(C(F)F)CC3)n2)c(Cl)cc1C(=O)N[Dy] | [
2,
1561,
1510,
1502,
1434,
2684,
1921,
1312,
1641,
2489,
2973,
1424,
1832,
428,
1290,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][Branch1][C][C][C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=N][Ring2][Ring1][N][C][=Branch1][C][=O][N][Dy] | CC(C)CC(Nc1nc(NCc2cn[nH]c2)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)N[Dy] | [
2,
1890,
1491,
2389,
2253,
1466,
2302,
1464,
1616,
1765,
1485,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][O][C][=C][C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][S][N][C][C][Branch1][=Branch1][S][Branch1][C][C][=O][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][=C][Branch1][C][Br][C][=N][Ring2][Ring2][=Branch1] | COc1cc(CNc2nc(NCC3(S(C)=O)CCC3)nc(N[C@@H](Cc3ccc(C)cc3)C(=O)N[Dy])n2)c(Br)cn1 | [
2,
1423,
2260,
1608,
1390,
1761,
2292,
2115,
425,
1848,
420,
1690,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][O][C][=C][C][=C][N][=C][Branch2][Ring2][=N][N][C][=N][C][Branch1][#C][N][C][=C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][C][Branch1][P][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][S][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2] | COc1ccc2nc(Nc3nc(Nc4cnc(OC)cc4C)nc(N4CCC[C@@]4(C)C(=O)N[Dy])n3)sc2c1 | [
2,
1334,
1315,
1542,
1364,
1428,
1645,
420,
1735,
436,
1337,
1413,
433,
1844,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][=C][C][Branch1][C][Br][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=C][Ring1][O][N][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][=N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][=N][C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][=N] | Cc1cc(Br)c(C(=O)N[Dy])cc1Nc1nc(NCc2ccc(-c3c[nH]c(=O)[nH]c3=O)cc2)nc(Nc2cnccn2)n1 | [
2,
1828,
2116,
1433,
2277,
1753,
1765,
1636,
2893,
1411,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][=N][C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][#Branch1] | O=C(N[Dy])c1cc(Cl)cc(Nc2nc(NCc3cc4ccccc4[nH]c3=O)nc(Nc3ccccc3-c3nnn[nH]3)n2)c1 | [
2,
2668,
1311,
424,
435,
1293,
1309,
1305,
1458,
2051,
2829,
1378,
2786,
2050,
431,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][O][C][=C][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][=C][N][C][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=N][Ring2][Ring1][O][=C][Branch1][C][Cl][C][=C][Ring2][Ring2][Ring1][C][=Branch1][C][=O][N][Dy] | CCOc1cc(Nc2nc(NCC(C)c3nccs3)nc(NCC34CC5CC(CC(C5)C3)C4)n2)c(Cl)cc1C(=O)N[Dy] | [
2,
1561,
1449,
1562,
1332,
1433,
1530,
1408,
1635,
1962,
1837,
1372,
1819,
1344,
1356,
1832,
2092,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][S][C][=C][C][=C][Branch2][Branch1][=Branch1][C][N][C][=N][C][Branch1][=C][N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][O][Ring2][Ring2][=Branch1] | CSc1ccc(CNc2nc(Nc3c(C#N)cnn3C)nc(N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[Dy])n2)o1 | [
2,
2626,
1286,
2260,
1358,
1318,
2125,
2086,
1484,
1331,
441,
1463,
1280,
1313,
441,
1463,
1287,
1394,
429,
2074,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][O][C][C][=C][C][=N][N][=C][Branch2][Ring2][N][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][S][C][Ring1][Ring2][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=Branch2][N][Ring2][Ring1][S][N][=Ring2][Ring2][Ring2] | COc1ccc2nnc(CNc3nc(NCCC4CSC4)nc(Nc4cccc(Cl)c4C(=O)N[Dy])n3)n2n1 | [
2,
1643,
1305,
1757,
1304,
1279,
1445,
3016,
2572,
1309,
1430,
1339,
434,
424,
1413,
433,
424,
450,
1300,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][N][C][=N][C][Branch1][O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][N][C][Branch1][C][F][=C][Ring2][Ring2][Ring2] | CC(=O)c1ccc(Nc2nc(Nc3ccncc3Cl)nc(N3Cc4ccccc4C[C@H]3C(=O)N[Dy])n2)c(F)c1 | [
2,
1703,
1514,
1429,
2889,
1406,
1941,
441,
1344,
1339,
1279,
1301,
1844,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][=C][C][C@@H1][Branch2][=Branch1][C][N][C][=N][C][Branch2][Ring1][P][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1][=N][C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][O][Ring1][#Branch2][=N][Ring2][Ring2][Branch1][C][=Branch1][C][=O][N][Dy] | C=CC[C@@H](Nc1nc(Nc2ccc(N3CCC=C(N4CCOCC4)C3=O)cc2)nc(Nc2nnc(C(=O)OCC)o2)n1)C(=O)N[Dy] | [
2,
1604,
2320,
2001,
2874,
1371,
1758,
2545,
1307,
1973,
2634,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S] | CCOC(=O)c1ncccc1Nc1nc(NCc2ccccc2N2CCOCC2)nc(Nc2cnc(Cl)cc2C(=O)N[Dy])n1 | [
2,
2205,
425,
1405,
1849,
1405,
1467,
1361,
1428,
1470,
1339,
433,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][=C][C][C][C@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][=C][N][C][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | C=CCC[C@@H](Nc1nc(NCc2cc(C)sc2C)nc(NCc2cccc3c2OCO3)n1)C(=O)N[Dy] | [
2,
1595,
1543,
2531,
2595,
1386,
2902,
1513,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 9 |
[C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][=N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=N][C][Branch1][O][N][C][C][=N][O][C][=C][Ring1][Branch1][C][=N][Ring2][Ring1][Branch2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][Ring1] | Cc1ccc(Nc2nc(NCCc3ccncc3F)nc(NCc3nocc3C)n2)c(C(=O)N[Dy])c1 | [
2,
1357,
2041,
1610,
1558,
432,
1476,
1370,
429,
1669,
2441,
422,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][=C][C][C@@H1][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][N][C][=C][C][=C][Branch1][C][F][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][Ring2][Ring1][P][C][=Branch1][C][=O][N][Dy] | C=CC[C@@H](Nc1nc(NCc2cccc(C(=O)N3CCCC3)c2)nc(NCc2cn3cccc(F)c3n2)n1)C(=O)N[Dy] | [
2,
1604,
1538,
1502,
2731,
2363,
1574,
1312,
1465,
1963,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][=C][C][Branch1][C][Br][=C][Branch2][Ring2][O][N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][=N][C][Branch1][=C][N][C][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch2][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][=C][Ring2][Ring2][=Branch1] | Cc1cc(Br)c(Nc2nc(NCc3cccc4cc[nH]c34)nc(NC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)c(C(=O)N[Dy])c1 | [
2,
1555,
1543,
2048,
3019,
1351,
2237,
1275,
441,
2255,
2685,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][#Branch1] | CCOC(=O)c1cncnc1Nc1nc(NCc2ccccc2CS(=O)(=O)N2CCOCC2)nc(N2Cc3ccccc3C[C@@H]2CC(=O)N[Dy])n1 | [
2,
1994,
1414,
1927,
3017,
1353,
1941,
440,
1344,
1335,
1719,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][C][S][C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][=N][N][C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][=N][C][Branch2][Ring1][Branch2][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][#C][=N][C][=Ring2][Ring2][=Branch1][C][Branch1][C][C][C] | Cc1sc(CNc2nc(NCCCn3cnnc3C)nc(N[C@H](CC(=O)N[Dy])Cc3ccc(I)cc3)n2)nc1C(C)C | [
2,
1274,
1337,
2395,
2132,
1324,
1955,
1466,
1634,
1407,
1357,
1284,
451,
1325,
1394,
1276,
1847,
1277,
1332,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][S] | Cc1ccncc1Nc1nc(Nc2cccc(OC(F)F)c2)nc(N[C@@H](CC(=O)N[Dy])c2ccc(C#N)cc2)n1 | [
2,
2191,
2388,
2900,
1466,
1518,
1407,
1286,
1863,
1424,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][#C][C][C@@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][O][N][C][C][Branch1][C][C][O][C][C][=C][=N][C][Branch2][Ring1][C][N][C][=N][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy] | C#CC[C@@H](Nc1nc(NCC(C)OCC=C)nc(Nc2nc3nc[nH]c3c(=O)[nH]2)n1)C(=O)N[Dy] | [
2,
1457,
1543,
1429,
1527,
1456,
1829,
2108,
1524,
1494,
1344,
1541,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][O][C][=C][C][=N][C][Branch2][Ring2][P][N][C][=N][C][Branch1][N][N][C][C][C@@H1][C][O][C][C@H1][Ring1][Branch1][O][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2] | COc1ccnc(Nc2nc(NCC[C@@H]3COC[C@H]3O)nc(N[C@H](CC(=O)N[Dy])c3cccc(Cl)c3)n2)c1 | [
2,
2498,
1458,
2602,
2223,
429,
1408,
1634,
1407,
1473,
1309,
1430,
2452,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 14 |
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][#N][C][=C][Ring1][O][=N][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C][=N][Ring2][Ring2][#Branch1] | Cc1ccc(C)c(CNc2nc(Nc3ccc(C(C)(C)C#N)cc3)nc(Nc3c(Br)cccc3C(=O)N[Dy])n2)n1 | [
2,
1357,
1332,
2375,
2114,
1722,
1320,
1392,
1398,
1361,
1318,
1323,
1525,
1339,
421,
1719,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][Br][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC(CNc1nc(Nc2ncncc2Br)nc(N[C@@H](CCC(=O)OC2CCCCC2)C(=O)N[Dy])n1)Sc1ccccc1 | [
2,
1274,
2395,
1429,
2240,
443,
1512,
1697,
1678,
2587,
1399,
1372,
1287,
1394,
433,
1377,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][O][C][=C][C][=N][C][Branch2][Branch1][N][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][=N][C][Branch2][Ring1][#Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][P][=C][Ring2][Ring2][Branch2] | CCOc1ccnc(Nc2nc(Nc3ccc4c(C)cc(=O)oc4c3)nc(N[C@H](CC(=O)N[Dy])c3cccc(Cl)c3)n2)c1 | [
2,
1561,
1276,
1789,
1454,
1342,
1695,
1810,
1329,
1472,
1408,
1634,
1407,
1473,
1309,
1430,
1439,
1877,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Dy][=N][C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][Br][=N][Ring2][Ring1][O][=N][Ring2][Ring2][Ring1] | Cc1cc(C)nc(Nc2nc(Nc3cccc(I)c3C(=O)N[Dy])nc(Nc3nc(=O)[nH]cc3Br)n2)n1 | [
2,
1349,
1288,
1276,
1500,
2657,
1284,
451,
1430,
1290,
1905,
1494,
2341,
1356,
1490,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][O][C][=Branch1][C][=O][C][=N][N][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][O][Ring2][Ring2][Branch1] | CCOC(=O)c1nnc(Nc2nc(NCC3(N4CCOCC4)CC3)nc(Nc3c(C(=O)O)cccc3C(=O)N[Dy])n2)o1 | [
2,
2205,
1757,
1496,
1415,
1623,
1748,
1972,
1497,
1278,
1495,
1343,
1339,
438,
429,
2082,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][O][C][Branch2][=Branch1][Branch1][C][Branch1][C][F][Branch1][C][F][C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][=N][C][Branch2][Ring1][N][N][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][C][C][C][O][C][C][Ring2][Ring2][=N] | COC1(C(F)(F)CNc2nc(Nc3ccc4c(c3)COC4=O)nc(Nc3c(C(=O)N[Dy])cnn3-c3ccc(F)cc3)n2)CCOCC1 | [
2,
1330,
1487,
1284,
2000,
2487,
2718,
2155,
1318,
1368,
1385,
1343,
1286,
1515,
1322,
1313,
1307,
1300,
425,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][O][C][=C][N][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][N][=C][Ring2][Ring2][=Branch1] | COc1cnc(Nc2nc(NCCNS(=O)(=O)c3ccn(C)c3)nc(N[C@@H](Cc3cscn3)C(=O)N[Dy])n2)nc1 | [
2,
2392,
1496,
2084,
424,
1436,
1319,
424,
1648,
1361,
1518,
1326,
1319,
1337,
425,
1463,
1287,
1394,
1611,
426,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 21 |
[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring2][=C][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][=N][Ring1][#Branch2][=N][C][Branch1][=C][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][#Branch2][NH1][N][=Ring2][Ring1][S] | CCOC(=O)c1cc(Nc2nc(Nc3ccc(C(=O)N[Dy])cn3)nc(Nc3cc(C)ccc3F)n2)[nH]n1 | [
2,
1508,
1319,
1514,
2474,
1368,
1465,
2497,
2387,
1355,
442,
424,
450,
2166,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][O][C][=C][C][=C][Branch2][Branch1][#C][C][N][C][=N][C][Branch1][P][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][O][Ring1][Branch2][=N][C][Branch2][Ring1][#C][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][#Branch2][C][#N] | COc1ccc(CNc2nc(NCC3(C4CC4)CCCO3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc(C(F)(F)F)cc3)n2)cc1C#N | [
2,
1655,
1336,
1492,
2063,
1845,
1329,
2287,
1518,
1407,
1357,
1468,
1346,
1322,
1319,
2471,
1392,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][#C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N][NH1][N][=Ring2][Ring2][Ring1] | CCOC(=O)c1cc(Nc2nc(NCCNC(=O)c3ccc(Cl)cc3)nc(N3CCOC[C@@H]3C(=O)N[Dy])n2)[nH]n1 | [
2,
1508,
1319,
1458,
1631,
1787,
1470,
1968,
1294,
440,
1372,
1287,
1411,
442,
424,
450,
1413,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][O][C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][=C][C][C][Ring1][Branch1][=N][C][Branch2][Ring1][O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][S][Ring1][=N][=N][Ring2][Ring1][O][C][C][C][O][C][Ring1][Branch1] | COC(CNc1nc(NCC2C=CCC2)nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)n1)C1CCOC1 | [
2,
1330,
2395,
1778,
2737,
1656,
1599,
1437,
421,
1302,
433,
1724,
1289,
1307,
1330,
1316,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[O][=C][Branch2][Branch1][P][C][C][Branch2][Branch1][Ring2][C][N][C][=N][C][Branch1][P][N][C][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Br][=C][Ring1][#Branch2][=N][Ring2][Ring1][=N][C][C][C][C][C][Ring2][Ring2][Branch1][N][Dy] | O=C(CC1(CNc2nc(NC[C@@H]3CCO[C@H]3c3cn[nH]c3)nc(Nc3ccc([N+](=O)[O-])c(Br)c3)n2)CCCCC1)N[Dy] | [
2,
2668,
2091,
1274,
2395,
1366,
2024,
441,
1528,
2253,
1671,
2907,
1411,
1547,
2082,
424,
435,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Ring2][Ring2][N][C][=N][C][Branch1][=Branch2][N][C][C][=C][Branch1][C][Cl][Cl][=N][C][Branch1][=C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1][=C][Ring2][Ring1][S] | COc1ccc(C(=O)N[Dy])c(Nc2nc(NCC=C(Cl)Cl)nc(NCC3CCNC(=O)C3)n2)c1 | [
2,
1673,
1864,
2332,
2996,
2569,
2236,
2127,
1551,
433,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][O][Ring1][=Branch2][=N][C][Branch1][P][N][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][O] | Cc1nc(Cl)ccc1Nc1nc(NCc2cc(C(F)(F)F)co2)nc(N[C@@H](CC2CC2)C(=O)N[Dy])n1 | [
2,
1274,
1276,
1478,
1325,
1971,
2250,
1809,
1378,
1518,
1297,
2688,
1339,
429,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][#Branch2][N][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][Branch2][Ring1][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][O][C][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch2] | CN(Cc1ccco1)Cc1ccccc1CNc1nc(Nc2nccn2C)nc(NC2(C(=O)N[Dy])CCOCC2)n1 | [
2,
1633,
1326,
1357,
429,
422,
1425,
1522,
1445,
1401,
1768,
1371,
1279,
1302,
1785,
1344,
1403,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=C] | CN(CC(F)(F)F)C(=O)CNc1nc(NCc2cn(C(F)F)c3ccccc23)nc(N2CCCC[C@H]2C(=O)N[Dy])n1 | [
2,
1633,
1388,
2671,
1499,
420,
1624,
2755,
1383,
1338,
441,
1372,
1287,
1379,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][=C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][C][Br][=C][N][C][=C][N][=C][Ring1][#Branch2][Ring1][Branch1][=N][Ring2][Ring1][=C][=N][N][Ring2][Ring2][Ring2][C] | Cc1cc(Nc2nc(Nc3cc(F)cc(F)c3C(=O)N[Dy])nc(Nc3cc(Br)cn4ccnc34)n2)nn1C | [
2,
1349,
1483,
2577,
1982,
1290,
2678,
2425,
1379,
1385,
1996,
420,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][C][=C][C][Branch2][Branch1][O][N][C][=N][C][Branch1][P][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][N][N][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][P][=N][C][=N][Ring2][Ring2][Branch2] | Cc1cc(Nc2nc(NCCC3CC(=O)N(C)C3)nc(N[C@@H](CC(=O)N[Dy])Cc3ccc([N+](=O)[O-])cc3)n2)ncn1 | [
2,
1349,
1704,
2458,
2322,
2155,
1518,
1407,
1357,
1448,
1568,
1439,
1276,
1865,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][N][C][=C][Branch2][Branch1][Ring2][C][Branch2][Ring2][=Branch2][C][N][C][=N][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][F][F][=N][C][Branch1][S][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch1][C][C][C][O][Ring2][Ring1][N][C][=N][Ring2][Ring1][P] | Cn1cc(C2(CNc3nc(NCC(C)(F)F)nc(N[C@H](C(=O)N[Dy])C4CC4)n3)CCCO2)cn1 | [
2,
420,
1318,
2395,
1626,
420,
1429,
1527,
1350,
1386,
1667,
1575,
1289,
1288,
1310,
1413,
1279,
1439,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][NH1][C][Branch1][C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][S][=C][Ring2][Ring2][Branch2] | COc1ccc(O)c(Nc2nc(NCc3ccc4[nH]c(C)cc4c3)nc(N[C@H](Cc3ccccc3Cl)C(=O)N[Dy])n2)c1 | [
2,
1334,
1488,
1483,
2488,
1373,
1695,
1675,
1406,
1634,
423,
1521,
437,
1339,
433,
1877,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][S][C][=C][C][=C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=N][Ring2][Ring1][S][O][Ring2][Ring2][#Branch1] | CSc1ccc(CNc2nc(NCc3cccc(C(F)(F)F)c3)nc(NC3(C(=O)N[Dy])CCc4ccccc43)n2)o1 | [
2,
2626,
1286,
2485,
2402,
1369,
1408,
1279,
1302,
1274,
1377,
1724,
1424,
429,
2111,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch2][Branch1][Ring1][N][C][=N][C][Branch1][P][N][C][C][=C][C][Branch1][C][C][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][Branch1][C][C][C][=N][Ring2][Ring1][O][=C][Ring2][Ring2][=Branch1] | COc1ccc(C(=O)N[Dy])c(Nc2nc(NCc3cc(C)nc(Cl)c3)nc(NCC3CC(C)(C)OC3(C)C)n2)c1 | [
2,
1673,
1449,
2136,
1288,
2163,
1363,
1338,
1320,
2271,
1332,
2396,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[O][=C][Branch1][Ring1][N][Dy][C][=C][C][=C][Branch2][Ring2][N][N][C][=N][C][Branch1][P][N][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][O][Ring1][Branch2][=N][C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][Branch1] | O=C(N[Dy])c1ccc(Nc2nc(NCc3cc(=O)c(O)co3)nc(NCC3CCC4CC4C3)n2)c(OC(F)(F)F)c1 | [
2,
2668,
1311,
424,
435,
1286,
1549,
2136,
1691,
2566,
429,
1329,
2569,
2985,
1375,
420,
1388,
2699,
1897,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 |
[C][C][O][C][Branch2][=Branch1][Branch2][C][N][C][=N][C][Branch2][Ring1][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O][=N][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][S][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][#Branch2][C][N][Branch1][C][C][C] | CCOC(CNc1nc(Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)nc(N[C@@H](CCC(=O)OC2CCCCC2)C(=O)N[Dy])n1)CN(C)C | [
2,
1274,
1294,
1487,
428,
420,
2482,
2820,
1512,
1697,
1678,
2587,
1399,
1372,
1287,
2193,
1633,
1332,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 19 |
[C][O][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][=N][C][Branch1][P][N][C@@H1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][O] | COC(=O)c1nc(Cl)c(Cl)nc1Nc1nc(Nc2ccc3c(cnn3C)c2)nc(N[C@@H]2CC[C@H](C(=O)N[Dy])C2)n1 | [
2,
2035,
1276,
3000,
2388,
420,
1385,
2309,
1378,
1518,
1274,
2076,
1343,
1356,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][N][C][C][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][O][=N][Ring2][Ring1][=C] | O=C(N[Dy])[C@@H]1Cc2ccccc2CN1c1nc(NCc2cccc(C(F)(F)F)c2)nc(NCC2CCCC3(CCC3)C2O)n1 | [
2,
2668,
1311,
424,
435,
440,
1978,
424,
1344,
420,
1406,
1563,
1468,
1369,
1361,
2768,
1379,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][=C][Ring1][Branch2][NH1][Ring1][O][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][#Branch2][=N][Ring2][Ring1][=C][C][C][=C][S][C][=Ring1][Branch1] | O=C(N[Dy])[C@@H](Nc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)nc(Nc2nc(Cl)c3[nH]cnc3n2)n1)c1ccsc1 | [
2,
2668,
1311,
424,
435,
440,
1483,
1454,
1370,
2346,
1362,
2263,
2682,
2104,
2103,
1379,
2549,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][N][=C][C][=C][C][Branch2][Ring2][=N][N][C][=N][C][Branch1][P][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][P][Ring2][Ring2][Ring2] | CC(C)(C)OC(=O)n1ncc2cc(Nc3nc(NCC4CCC(F)(F)CC4)nc(N4CCCC[C@@H]4C(=O)N[Dy])n3)ccc21 | [
2,
2043,
1280,
2638,
1542,
2458,
2837,
1383,
1338,
440,
1372,
1287,
1355,
421,
2619,
1996,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch2][Branch1][N][C][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][C][N][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][C][C][Ring2][Ring2][Branch2] | CCS(=O)(=O)N1CC(CNc2nc(NCCC(=O)N3CCN(c4ccccn4)CC3)nc(NC(CC(=O)OC)C(=O)N[Dy])n2)C1 | [
2,
1274,
2055,
2485,
1894,
3033,
2649,
2527,
2195,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 10 |
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C@H1][Branch2][Ring2][O][N][C][=N][C][Branch1][S][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][C][Branch1][=C][N][C][C][Branch1][Ring1][O][C][C][C][O][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy][C][=C][Ring2][Ring2][#Branch1][O][C] | COc1ccc(C[C@H](Nc2nc(NCCC(=O)NC3CCCC3)nc(NCC3(OC)CCOC3)n2)C(=O)N[Dy])cc1OC | [
2,
1655,
1277,
2615,
1685,
2899,
1944,
1360,
1330,
1312,
2394,
1294,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 13 |
[C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][S][N][C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=N][C][Branch2][Ring1][Ring1][N][C@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][=N] | COc1cc(F)ccc1Nc1nc(NCc2nc(C)ccc2OC)nc(N[C@H](CC2CCCC2)C(=O)N[Dy])n1 | [
2,
1423,
2360,
1608,
2562,
1294,
1361,
1634,
1326,
1399,
1274,
1463,
1287,
1411,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 15 |
[C][C][Branch2][=Branch1][Ring1][C][N][C][=N][C][Branch2][Ring1][=N][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring2][Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | CC(CNc1nc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(Nc2c(Br)cc(F)cc2C(=O)N[Dy])n1)Oc1ccc(Cl)cc1 | [
2,
1274,
1487,
2013,
2159,
1367,
1623,
1291,
1279,
1661,
1418,
1323,
1567,
2079,
1652,
1495,
1470,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 18 |
[C][O][C][=C][C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][O][N][C][C][=C][N][=C][N][Ring1][Branch1][C][=N][C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1] | COc1cc(Nc2nc(NCc3cncn3C)nc(Nc3ccnc(Cl)n3)n2)c(C(=O)N[Dy])c(OC)c1 | [
2,
1423,
2041,
1429,
1615,
1768,
1851,
3020,
1784,
1756,
422,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][#C][C][C@@H1][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][=N][C][Branch2][Ring1][Ring1][N][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=N][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][N][Dy] | C#CC[C@@H](Nc1nc(NCC(F)(F)C2CC2)nc(Nc2scc(C)c2C(=O)OCC)n1)C(=O)N[Dy] | [
2,
1457,
1491,
1489,
2727,
1361,
2598,
2053,
2587,
1513,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 11 |
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][Branch2][Branch1][Branch2][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][#Branch2][=N][C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Dy][=N][Ring2][Ring1][#C][=C][Ring2][Ring2][#Branch1] | COC(=O)c1cc(O)cc(Nc2nc(Nc3cc(Cl)c([N+](=O)[O-])cn3)nc(N[C@@H](CCC3CCCCC3)C(=O)N[Dy])n2)c1 | [
2,
1621,
2590,
1496,
1354,
1614,
2353,
1406,
1697,
1307,
1399,
1274,
1372,
1287,
2050,
431,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[O][=C][Branch1][Ring1][N][Dy][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=N][C][Branch1][=Branch1][N][C][/C][=C][/Br][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | O=C(N[Dy])[C@@H]1CCCCN1c1nc(NC/C=C/Br)nc(Nc2ccc(F)nc2)n1 | [
2,
2668,
1311,
424,
435,
440,
1399,
424,
1372,
1299,
2748,
2303,
2344,
1289,
422,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][C][N][C][=C][C][=C][Branch2][Ring2][N][N][C][=N][C][Branch1][#C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][C][Branch1][S][N][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch2][C][=C][C][Ring2][Ring1][S][=N][Ring2][Ring2][Ring1] | CCn1cc2cc(Nc3nc(Nc4ccc5[nH]ncc5c4)nc(N4CCC(C(=O)N[Dy])C4)n3)ccc2n1 | [
2,
1274,
1303,
1549,
2007,
2894,
1386,
1331,
1368,
1343,
1375,
1293,
1413,
433,
1490,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 16 |
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][N][C][=N][C][Branch1][N][N][C][C][Branch1][C][C][S][Branch1][C][C][=O][=N][C][Branch2][Ring1][Ring1][N][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][Dy][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | COC(=O)c1sc(-c2ccc(Cl)cc2)cc1Nc1nc(NCC(C)S(C)=O)nc(N[C@@H](C(=O)N[Dy])C2CCCCC2)n1 | [
2,
2412,
423,
1303,
1470,
1305,
2083,
1565,
1527,
1761,
1361,
1518,
1302,
1399,
2058,
1375,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 17 |
[C][C][=Branch1][C][=O][S][C][C][N][C][=N][C][Branch1][#C][N][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch1][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][Dy][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][=C] | CC(=O)SCCNc1nc(NCCNC(=O)NC(C)C)nc(N[C@H](CC(=O)N[Dy])c2ccccc2C)n1 | [
2,
1550,
1666,
1489,
2306,
1332,
1406,
1634,
1407,
2112,
1379,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 12 |
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring2][#Branch2][N][C][=N][C][Branch1][=N][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][Dy] | COC(=O)CC(Nc1nc(NCc2cnn(C)c2)nc(Nc2cccc3ncccc23)n1)C(=O)N[Dy] | [
2,
1613,
1573,
2132,
1795,
2511,
2848,
1541,
3
] | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
1,
0,
0,
0,
0,
0,
0,
0,
1
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1
] | 9 |
Subsets and Splits